[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol

C15H19NO3 — CID 167800041

IUPAC[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(Cc2coc3ccccc23)C1
InChIInChI=1S/C15H19NO3/c1-18-13-6-12(9-17)16(8-13)7-11-10-19-15-5-3-2-4-14(11)15/h2-5,10,12-13,17H,6-9H2,1H3/t12-,13-/m0/s1
InChIKeyMNWZAZUBDYYNDU-STQMWFEESA-N
MW261.32 g/mol
LogP2.01
Rot. Bonds4

About [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 167800041) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID167800041
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(Cc2coc3ccccc23)C1
InChIInChI=1S/C15H19NO3/c1-18-13-6-12(9-17)16(8-13)7-11-10-19-15-5-3-2-4-14(11)15/h2-5,10,12-13,17H,6-9H2,1H3/t12-,13-/m0/s1
InChIKeyMNWZAZUBDYYNDU-STQMWFEESA-N
XLogP2.01
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol (CID 167800041) is [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@H]1C[C@@H](CO)N(Cc2coc3ccccc23)C1.
What is the InChIKey of [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is MNWZAZUBDYYNDU-STQMWFEESA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-13-6-12(9-17)16(8-13)7-11-10-19-15-5-3-2-4-14(11)15/h2-5,10,12-13,17H,6-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 167800041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).